SCHEMBL3397454

SCHEMBL3397454

Cc1cc(C#N)ccc1-c1cnnc(N(C)c2cc(-c3ccc(Br)o3)[nH]n2)n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.31
S1PR1 P21453 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3393481 0.80 MAPT (0.38) OXTRS1PR1
SCHEMBL3395524 0.80 KCNH2 (0.39) S1PR1
SCHEMBL3397458 0.79 KCNH2 (0.34) S1PR1
SCHEMBL3395600 0.72 L3MBTL1 (0.35)
SCHEMBL3392275 0.71 KCNH2 (0.46) OXTR
SCHEMBL13426190 0.70 KCNH2 (0.36)
SCHEMBL13425750 0.68 OXTR (0.34) OXTR
SCHEMBL3433177 0.68 KCNH2 (0.36) OXTR
SCHEMBL3396965 0.67 VNN1 (0.33) OXTR
SCHEMBL3395528 0.67 KCNH2 (0.54) S1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed